(2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C20H25N3O2S — CID 56712307

IUPAC(2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)sc1-c1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-12(2)22-19(24)16-10-15(21)11-23(16)20(25)17-9-13(3)18(26-17)14-7-5-4-6-8-14/h4-9,12,15-16H,10-11,21H2,1-3H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyXHKDVJIZJUJPNA-HOTGVXAUSA-N
MW371.51 g/mol
LogP2.79
Rot. Bonds4

About (2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56712307) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56712307
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name(2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)sc1-c1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-12(2)22-19(24)16-10-15(21)11-23(16)20(25)17-9-13(3)18(26-17)14-7-5-4-6-8-14/h4-9,12,15-16H,10-11,21H2,1-3H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyXHKDVJIZJUJPNA-HOTGVXAUSA-N
XLogP2.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713782
(2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56718069
(2S,4R)-4-amino-1-(3,4-dimethylbenzoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713460
(2S,4R)-4-amino-1-(6-oxo-1H-pyridine-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56704258
(2S,4S)-4-amino-1-(1-methylindazole-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713767
(3S,6R)-6-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)azepane-3-carboxylic acid;hydrochloride
CID 171711553
(2S,4R)-4-amino-N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 56715388
(2S,4S)-4-amino-N-propan-2-yl-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56712494
(2S,4R)-4-amino-1-(3-benzylsulfanylpropanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 70745968
(2S,4R)-4-amino-1-[3-(2-methoxyphenyl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56716009
(2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713832
(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56704892

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56712307) is (2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1cc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)sc1-c1ccccc1.
What is the InChIKey of (2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is XHKDVJIZJUJPNA-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-12(2)22-19(24)16-10-15(21)11-23(16)20(25)17-9-13(3)18(26-17)14-7-5-4-6-8-14/h4-9,12,15-16H,10-11,21H2,1-3H3,(H,22,24)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(4-methyl-5-phenylthiophene-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56712307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).